Home Boronic Acids 1025719-14-5
1025719-14-5,MFCD12407269
Catalog No.:AA0007PI
1025719-14-5 | 1-BOC-5-bromopyrrolo[2,3-b]pyridine-3-boronic acid, pinacol ester
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250mg
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1g
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Technical Information
Catalog Number:
AA0007PI
Chemical Name:
1-BOC-5-bromopyrrolo[2,3-b]pyridine-3-boronic acid, pinacol ester
CAS Number:
1025719-14-5
Molecular Formula:
C18H24BBrN2O4
Molecular Weight:
423.1092
MDL Number:
MFCD12407269
IUPAC Name:
tert-butyl 5-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate
InChI:
InChI=1S/C18H24BBrN2O4/c1-16(2,3)24-15(23)22-10-13(12-8-11(20)9-21-14(12)22)19-25-17(4,5)18(6,7)26-19/h8-10H,1-7H3
InChI Key:
SDQGAPHZJCNKFB-UHFFFAOYSA-N
SMILES:
Brc1cnc2c(c1)c(cn2C(=O)OC(C)(C)C)B1OC(C(O1)(C)C)(C)C
Properties
Computed Properties
 
Complexity:
550  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.101g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
423.114g/mol
Monoisotopic Mass:
422.101g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
1025719-14-5 
TERT-BUTYL 5-BROMO-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLATE 
AX8230037 
TC-142303 
ST24025954 
A-3944 
1-Boc-5-bromopyrrolo[2,3-b]pyridine-3-boronic acid,pinacol ester 
1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 5-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester 
tert-butyl 5-bromo-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1h-pyrrolo[2,3-b]pyridine-1-carboxylate 
tert-Butyl5-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate 
1-BOC-5-bromopyrrolo[2,3-b]pyridine-3-boronic acid, pinacol ester 
CTK4A1239 
DTXSID40718238 
ANW-53558 
MFCD12407269 
AKOS015999375 
ZINC169746267 
OR360716 
Literature
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